SCHEMBL169523

SCHEMBL169523

COCCNc1nc(C)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.45
LMNA P02545 1/20 0.42
PIK3CA P42336 2/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
HTR7 P34969 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10410781 0.89 KCNH3 (0.50) KCNH3LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL25722611 0.80 KCNH3 (0.50) KCNH3PIK3CAKDM4EALDH1A1HTR7
SCHEMBL10352703 0.79 KMT2A (0.57) KCNH3LMNAPIK3CAKMT2ANR1I2
SCHEMBL25724029 0.79 KCNH3 (0.45) KCNH3PIK3CAKMT2AALDH1A1HTR7
SCHEMBL4376048 0.78 KMT2A (0.60) LMNAKMT2ANR1I2AHRGAA
SCHEMBL20511066 0.78 KCNH3 (0.51) KCNH3LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL8106274 0.78 KCNH3 (0.55) KCNH3LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14442005 0.77 KCNH3 (0.47) KCNH3PIK3CAKMT2AKDM4EALDH1A1
SCHEMBL9004359 0.75 LMNA (0.75) LMNAPIK3CAKMT2AGAA
SCHEMBL4819069 0.74 KCNH3 (0.51) KCNH3LMNAKMT2AKDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD KCNH3 4075/4885LMNA 3431/4885PIK3CA 2/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD KCNH3 4075/4885LMNA 3431/4885PIK3CA 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.